4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide

C14H22N2O4 — CID 66181212

IUPAC4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
SMILESCOc1ccccc1NC(C)(CC(OC)OC)C(N)=O
InChIInChI=1S/C14H22N2O4/c1-14(13(15)17,9-12(19-3)20-4)16-10-7-5-6-8-11(10)18-2/h5-8,12,16H,9H2,1-4H3,(H2,15,17)
InChIKeyRYGHWGNOORQULJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.36
Rot. Bonds8

About 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide

4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide (PubChem CID 66181212) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide.

Molecular Properties

Compound Name4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
PubChem CID66181212
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide
SMILESCOc1ccccc1NC(C)(CC(OC)OC)C(N)=O
InChIInChI=1S/C14H22N2O4/c1-14(13(15)17,9-12(19-3)20-4)16-10-7-5-6-8-11(10)18-2/h5-8,12,16H,9H2,1-4H3,(H2,15,17)
InChIKeyRYGHWGNOORQULJ-UHFFFAOYSA-N
XLogP1.36
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyanilino)-2,4-dimethylpentanamide
CID 54892038
4,4-dimethoxy-2-(3-methoxyanilino)-2-methylbutanamide
CID 66181211
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanenitrile
CID 66179632
2-(2-methoxyanilino)-2-(4-methylphenyl)propanamide
CID 60991724
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
ethane;(2-methoxyphenyl)urea
CID 143063924
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide?
The IUPAC name of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide (CID 66181212) is 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide.
What is the SMILES notation for 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide?
The canonical SMILES for 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide is COc1ccccc1NC(C)(CC(OC)OC)C(N)=O.
What is the InChIKey of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide?
The InChIKey is RYGHWGNOORQULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(13(15)17,9-12(19-3)20-4)16-10-7-5-6-8-11(10)18-2/h5-8,12,16H,9H2,1-4H3,(H2,15,17).
What are the key properties of 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide?
4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide has a molecular weight of 282.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-(2-methoxyanilino)-2-methylbutanamide is sourced from PubChem (CID 66181212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).